2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone

C11H18N4O — CID 162015227

IUPAC2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone
SMILESCn1cc(N2CCCC(C(=O)CN)C2)cn1
InChIInChI=1S/C11H18N4O/c1-14-8-10(6-13-14)15-4-2-3-9(7-15)11(16)5-12/h6,8-9H,2-5,7,12H2,1H3
InChIKeyYJMDOVXGCWLTEQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.16
Rot. Bonds3

About 2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone

2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone (PubChem CID 162015227) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone
PubChem CID162015227
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone
SMILESCn1cc(N2CCCC(C(=O)CN)C2)cn1
InChIInChI=1S/C11H18N4O/c1-14-8-10(6-13-14)15-4-2-3-9(7-15)11(16)5-12/h6,8-9H,2-5,7,12H2,1H3
InChIKeyYJMDOVXGCWLTEQ-UHFFFAOYSA-N
XLogP0.16
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide
CID 119889300
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide
CID 119889292
1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 100900899
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 95967438
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride
CID 119889291
3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590228
1-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119889303
(1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99775077
[(1S,3S)-3-aminocyclohexyl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
CID 124696422
1-[1-(4-hydroxyphenyl)piperidin-3-yl]propan-1-one
CID 141149373
2-(1-methylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79928912
1-[4-(2-aminoacetyl)phenyl]piperidine-3-carboxylic acid
CID 83971736

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone?
The IUPAC name of 2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone (CID 162015227) is 2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone.
What is the SMILES notation for 2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone?
The canonical SMILES for 2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone is Cn1cc(N2CCCC(C(=O)CN)C2)cn1.
What is the InChIKey of 2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone?
The InChIKey is YJMDOVXGCWLTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14-8-10(6-13-14)15-4-2-3-9(7-15)11(16)5-12/h6,8-9H,2-5,7,12H2,1H3.
What are the key properties of 2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone?
2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone has a molecular weight of 222.29 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone is sourced from PubChem (CID 162015227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).